(2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(2-Pyrimidinyl)-1-Piperazinyl]-1-Azetidinyl}Methanone
Properties
Property | Value |
---|---|
Formula | C25H30N6O2 |
IUPAC Name | (2-cyclohexyl-1,3-benzoxazol-6-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone |
Molecular Mass | 446.545 g·mol−1 |
Heat of Formation | 107.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.73 ± 1.08 D |
Volume | 534.35 Å 3 |
Surface Area | 466.87 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | -1.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | IABLYMUVWHQTGC-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |